SCHEMBL3604863

SCHEMBL3604863

CCc1nc(SCc2cccc(F)c2F)nc(O)c1C#N

nearest known ligand 0.49

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CXCR2 P25025 19/20 0.49
CHRM5 P08912 1/20 0.44
CX3CR1 P49238 1/20 0.44
CCR7 P32248 1/20 0.42
LMNA P02545 1/20 0.41
PKM P14618 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL3605166 0.86 CXCR2 (0.59) CXCR2CHRM5CX3CR1LMNAPKM
SCHEMBL3596434 0.85 CXCR2 (0.48) CXCR2CHRM5CX3CR1CCR7
SCHEMBL3614058 0.83 CXCR2 (0.61) CXCR2CHRM5CX3CR1CCR7
SCHEMBL3606631 0.83 CXCR2 (0.61) CXCR2CHRM5CX3CR1CCR7
SCHEMBL3606369 0.83 CXCR2 (0.51) CXCR2CCR7
SCHEMBL14214462 0.82 CXCR2 (0.47) CXCR2CX3CR1CCR7
SCHEMBL3611217 0.82 CXCR2 (0.49) CXCR2CHRM5CX3CR1CCR7
SCHEMBL3599639 0.81 CXCR2 (0.61) CXCR2CHRM5CX3CR1
SCHEMBL3609317 0.81 CXCR2 (0.45) CXCR2CHRM5CX3CR1CCR7
SCHEMBL3609311 0.81 CXCR2 (0.45) CXCR2CHRM5CX3CR1CCR7

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100063080-A1 CXCR2 inhibitors PRESS NEIL JOHN 2010-03-11 US claimed
EP-2086947-A1 PYRIMIDINES AND THEIR USE AS CXCR2 RECEPTOR ANTAGONISTS Novartis AG (CH) 2009-08-12 EP claimed
WO-2008061740-A1 PYRIMIDINES AND THEIR USE AS CXCR2 RECEPTOR ANTAGONISTS NOVARTIS AG (CH) 2008-05-29 WO claimed
US-20100063080-A1 CXCR2 inhibitors PRESS NEIL JOHN 2010-03-11 US disclosed
US-20100063080-A1 CXCR2 inhibitors PRESS NEIL JOHN 2010-03-11 US disclosed
US-20100063080-A1 CXCR2 inhibitors PRESS NEIL JOHN 2010-03-11 US disclosed
EP-2086947-A1 PYRIMIDINES AND THEIR USE AS CXCR2 RECEPTOR ANTAGONISTS Novartis AG (CH) 2009-08-12 EP disclosed
WO-2008061740-A1 PYRIMIDINES AND THEIR USE AS CXCR2 RECEPTOR ANTAGONISTS NOVARTIS AG (CH) 2008-05-29 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20100063080-A1 CXCR2 inhibitors CXCR2, CXCR1, CXCR3 CXCR2 1/4885CHRM5 4122/4885CX3CR1 10/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.